2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid

C15H19BrN2O3 — CID 79611094

IUPAC2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCc1ccc(Br)cc1NC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H19BrN2O3/c1-10-2-3-12(16)9-13(10)17-15(21)18-6-4-11(5-7-18)8-14(19)20/h2-3,9,11H,4-8H2,1H3,(H,17,21)(H,19,20)
InChIKeyLDNXGXFVXZATHT-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.48
Rot. Bonds3

About 2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid

2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79611094) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
PubChem CID79611094
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCc1ccc(Br)cc1NC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H19BrN2O3/c1-10-2-3-12(16)9-13(10)17-15(21)18-6-4-11(5-7-18)8-14(19)20/h2-3,9,11H,4-8H2,1H3,(H,17,21)(H,19,20)
InChIKeyLDNXGXFVXZATHT-UHFFFAOYSA-N
XLogP3.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(5-bromo-2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618820
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79610817
2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608695
2-[1-[2-(4-bromo-2-methylphenyl)acetyl]piperidin-4-yl]acetic acid
CID 120515553
2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606453
2-[1-(3-bromo-4-methylbenzoyl)piperidin-4-yl]acetic acid
CID 81360577
2-[1-[(4-bromo-2-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691337
2-[1-(2,5-dibromobenzoyl)piperidin-4-yl]acetic acid
CID 114368157
N-(5-bromo-2-fluorophenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443332
2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616406
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
2-[(3-aminopyrrolidine-1-carbonyl)amino]-4-bromobenzoic acid
CID 55029999

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid (CID 79611094) is 2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid is Cc1ccc(Br)cc1NC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is LDNXGXFVXZATHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-10-2-3-12(16)9-13(10)17-15(21)18-6-4-11(5-7-18)8-14(19)20/h2-3,9,11H,4-8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 355.23 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79611094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).